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Details

Stereochemistry ABSOLUTE
Molecular Formula C75H132N11O39P
Molecular Weight 1842.8746
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cadapersen 5'-modification

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)COCCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)C(=O)NCCCCCCOP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)N5C=CC(N)=NC5=O

InChI

InChIKey=LHUAUONAUCHXTN-LXJLCSEYSA-N
InChI=1S/C75H132N11O39P/c1-46(90)80-61-67(100)64(97)52(39-87)123-72(61)117-35-32-111-23-20-108-26-29-114-43-57(94)77-15-9-6-12-49(70(103)79-17-8-4-5-11-19-120-126(106,107)121-42-55-51(93)38-60(122-55)86-18-14-56(76)85-75(86)105)84-71(104)50(83-59(96)45-116-31-28-110-22-25-113-34-37-119-74-63(82-48(3)92)69(102)66(99)54(41-89)125-74)13-7-10-16-78-58(95)44-115-30-27-109-21-24-112-33-36-118-73-62(81-47(2)91)68(101)65(98)53(40-88)124-73/h14,18,49-55,60-69,72-74,87-89,93,97-102H,4-13,15-17,19-45H2,1-3H3,(H,77,94)(H,78,95)(H,79,103)(H,80,90)(H,81,91)(H,82,92)(H,83,96)(H,84,104)(H,106,107)(H2,76,85,105)/t49-,50-,51-,52+,53+,54+,55+,60+,61+,62+,63+,64-,65-,66-,67+,68+,69+,72+,73+,74+/m0/s1

HIDE SMILES / InChI

Molecular Formula C75H132N11O39P
Molecular Weight 1842.8746
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 20 / 20
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:18:29 GMT 2025
Edited
by admin
on Wed Apr 02 19:18:29 GMT 2025
Record UNII
U89B5T76HE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cadapersen 5'-modification
Preferred Name English
Code System Code Type Description
FDA UNII
U89B5T76HE
Created by admin on Wed Apr 02 19:18:29 GMT 2025 , Edited by admin on Wed Apr 02 19:18:29 GMT 2025
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